cyclohexyl 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate

Systemtic Name: cyclohexyl 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Openeye Name: cyclohexyl 3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate CAS Name: 3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Traditional Name: 3-(3-keto-5-methyl-4-phenyl-1,2,4-triazolidin-1-yl)propionic acid cyclohexyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OC3CCCCC3

Isomeric SMILES

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OC3CCCCC3

InChI

InChI=1S/C18H25N3O3/c1-14-20(13-12-17(22)24-16-10-6-3-7-11-16)19-18(23)21(14)15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,19,23)